N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine

C12H22N4O — CID 55256456

IUPACN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2noc(C)n2)C1
InChIInChI=1S/C12H22N4O/c1-3-13-7-11-5-4-6-16(8-11)9-12-14-10(2)17-15-12/h11,13H,3-9H2,1-2H3
InChIKeyHWAKCQWYDFKCPM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.20
Rot. Bonds5

About N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine

N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 55256456) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
PubChem CID55256456
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2noc(C)n2)C1
InChIInChI=1S/C12H22N4O/c1-3-13-7-11-5-4-6-16(8-11)9-12-14-10(2)17-15-12/h11,13H,3-9H2,1-2H3
InChIKeyHWAKCQWYDFKCPM-UHFFFAOYSA-N
XLogP1.20
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
2-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847441
N-[[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 106418274
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 106402344
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 114185670
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
5-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313243
(3R)-N-(3-methylbut-2-enyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95606411
N-(3-methylbut-2-enyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56779683
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241895
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 54959399
azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
CID 95316835

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine (CID 55256456) is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(Cc2noc(C)n2)C1.
What is the InChIKey of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is HWAKCQWYDFKCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-13-7-11-5-4-6-16(8-11)9-12-14-10(2)17-15-12/h11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine?
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 55256456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).